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Figure BSE + Tables

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EnzoMonino 2021-01-15 11:01:01 +01:00
parent 05bedeaa18
commit 92c2724190
2 changed files with 7 additions and 7 deletions
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Manuscript/H2_BSE.pdf
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Manuscript/sfBSE.tex
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@ -819,15 +819,15 @@ Now, looking at the Table~\ref{tab:CBD_D4h} and comparing SF-BSE@{\GOWO} to SF-A
Method & $1\,{}^3B_{1g}$ & $1\,{}^1B_{1g}$ & $2\,{}^1A_{1g}$ \\
\hline
SF-TD-BLYP \fnm[3] & & & \\
SF-TD-B3LYP \fnm[3] & & & \\
SF-TD-B3LYP \fnm[3] &1.750 &2.260 &4.094 \\
SF-TD-BH\&HLYP\fnm[3] &1.583 &2.813 & 4.528\\
SF-CIS\fnm[1] & & & \\
EOM-SF-CCSD\fnm[1] &1.654 & 3.416&4.360 \\
EOM-SF-CCSD(fT)\fnm[1] & 1.516& 3.260&4.205 \\
EOM-SF-CCSD(dT)\fnm[1] &1.475 &3.215 &4.176 \\
SF-ADC(2)-s\fnm[2] & 1.572& 3.201& 4.241\\
SF-ADC(2)-x\fnm[2] &1.576 &3.134 &3.792 \\
SF-ADC(3)\fnm[2] & 1.455&3.276 &4.328 \\
SF-ADC(2)-s\fnm[2] & 1.573& 3.208& 4.247\\
SF-ADC(2)-x\fnm[2] &1.576 &3.141 &3.796 \\
SF-ADC(3)\fnm[2] & 1.456&3.285 &4.334 \\
SF-BSE@{\GOWO}\fnm[3] & 1.438 & 2.704 &4.540 \\
SF-dBSE@{\GOWO}\fnm[3] & 1.403 &2.883 &4.621 \\
\end{tabular}
@ -851,13 +851,13 @@ Now, looking at the Table~\ref{tab:CBD_D4h} and comparing SF-BSE@{\GOWO} to SF-A
Method & $1\,{}^3A_{2g}$ & $2\,{}^1A_{1g}$ & $1\,{}^1B_{2g}$ \\
\hline
SF-TD-BLYP \fnm[3] & & & \\
SF-TD-B3LYP \fnm[3] & & & \\
SF-TD-BH\&HLYP\fnm[3] & & & \\
SF-TD-B3LYP \fnm[3] &-0.020 & 0.486& 0.547\\
SF-TD-BH\&HLYP\fnm[3] &0.048 & 1.282&1.465 \\
SF-CIS\fnm[1] &0.317 & 3.125&2.650 \\
EOM-SF-CCSD\fnm[1] &0.369 & 1.824& 2.143\\
EOM-SF-CCSD(fT)\fnm[1] & 0.163&1.530 &1.921 \\
EOM-SF-CCSD(dT)\fnm[1] &0.098 &1.456 &1.853 \\
SF-ADC(2)-s\fnm[2] & 0.265 & 1.658& 1.904 \\
SF-ADC(2)-s\fnm[2] & 0.266& 1.664& 1.910 \\
SF-ADC(2)-x\fnm[2] & 0.217&1.123 &1.799 \\
SF-ADC(3)\fnm[2] &0.083 &1.621 &1.930 \\
SF-BSE@{\GOWO}\fnm[3] & -0.049 & 1.189 & 1.480 \\